SCHEMBL6582583

SCHEMBL6582583

N=C(N)c1cccc(NC(=O)NC2(C3CCN(S(=O)(=O)c4cccc(N)c4)CC3)CCCCCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
F10 P00742 3/20 0.47
F2 P00734 2/20 0.47
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
PRSS1 P07477 2/20 0.40
HPN P05981 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6584604 0.92 F10 (0.46) CNR1F10F2GAANPC1
SCHEMBL6588093 0.92 TP53 (0.51) CNR1F10F2GAANPC1
SCHEMBL6582723 0.87 NPC1 (0.48) NPC1TP53SMN1; SMN2LMNAHTT
SCHEMBL6582385 0.87 F10 (0.48) CNR1F10F2GAANPC1
SCHEMBL6582565 0.84 L3MBTL1 (0.44) F10F2TP53SMN1; SMN2LMNA
SCHEMBL6588145 0.84 GAA (0.54) F10F2GAANPC1RAB9A
SCHEMBL6586241 0.84 F10 (0.42) F10F2SMN1; SMN2PRSS1HPN
SCHEMBL6588275 0.83 CHRM5 (0.41) CNR1F10F2GAANPC1
SCHEMBL7248310 0.82 F10 (0.46) F10F2SMN1; SMN2LMNAPRSS1
SCHEMBL6584538 0.82 F10 (0.37) CNR1F10F2GAANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960104-B1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-16 EP claimed
US-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 US claimed
EP-0960104-B1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-16 EP disclosed
US-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 US disclosed
EP-0960104-A1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5925635-A 2-(OXO-1,3-PERHYDRODIAZEPINES OR 3-OXO-2,3,4,5-TETRAHYDRO-1H-2,4-BENZODIAZEPINES; ANTICOAGULANTS; ENZYME INHIBITORS OF SERINE PROTEASE THROMBIN, KALLIKREIN AND PLASMIN; NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-07-20 US disclosed
WO-1997038984-A1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-23 WO disclosed